SCHEMBL3523159

SCHEMBL3523159

Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 20/20 1.00
CSNK1D P48730 20/20 1.00
MAP4K4 O95819 17/20 1.00
PRKD3 O94806 15/20 1.00
PRKD2 Q9BZL6 14/20 1.00
MAPK8 P45983 14/20 1.00
MINK1 Q8N4C8 13/20 1.00
TAOK1 Q7L7X3 13/20 1.00
MAPK14 Q16539 4/20 1.00
EGFR P00533 1/20 1.00
CSNK1A1 P48729 17/20 0.84
MAP4K5 Q9Y4K4 10/20 0.84
CSNK1G2 P78368 11/20 0.81
CSNK1G3 Q9Y6M4 10/20 0.81
LIMK1 P53667 9/20 0.81
CSNK1G1 Q9HCP0 6/20 0.81
FGFR1 P11362 4/20 0.81
PLK3 Q9H4B4 1/20 0.81
GSK3B P49841 9/20 0.80
FRK P42685 3/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13342092 0.91 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL3523402 0.88 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL3663948 0.86 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL3724163 0.83 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL14600660 0.83 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL13368470 0.83 MAPK9 (0.73) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL13342091 0.82 MAPK9 (0.83) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL13342013 0.81 MAPK9 (0.80) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL3663739 0.78 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2
SCHEMBL3523160 0.77 MAPK9 (1.00) MAPK9CSNK1DMAP4K4PRKD3PRKD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 MAPK9 189/4885CSNK1D 281/4885MAP4K4 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.